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Sulfasalazine Impurity 4

CAT: 1596-AR-S10982-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-S10982-01Size:10 Units
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CAS Number
2033064-46-7
Synonyms
4,4'-azanediylbis (N- (pyridin-2-yl) benzenesulfonamide)
Molecular Formula
C22H19N5O4S2
Molecular Weight
481.55
API Name
Sulfasalazine

Chemical Information

N-pyridin-2-yl-4-[4-(pyridin-2-ylsulfamoyl)anilino]benzenesulfonamide
CAS Number2033064-46-7
PubChem CID176479379
IUPAC NameN-pyridin-2-yl-4-[4-(pyridin-2-ylsulfamoyl)anilino]benzenesulfonamide
Molecular FormulaC22H19N5O4S2
Molecular Weight481.6
XLogP2
Topological Polar Surface Area147
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity743
SMILES
C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=N4
InChI
InChI=1S/C22H19N5O4S2/c28-32(29,26-21-5-1-3-15-23-21)19-11-7-17(8-12-19)25-18-9-13-20(14-10-18)33(30,31)27-22-6-2-4-16-24-22/h1-16,25H,(H,23,26)(H,24,27)
InChIKey
VLXOPSHZTFCDQZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-pyridin-2-yl-4-[4-(pyridin-2-ylsulfamoyl)anilino]benzenesulfonamide
CAS: 2033064-46-7
CID: 176479379
Formula: C22H19N5O4S2
MW: 481.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight481.6
XLogP32
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass481.08784645
Monoisotopic Mass481.08784645
Topological Polar Surface Area147 Ų
Heavy Atom Count33
Formal Charge0
Complexity743
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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